5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole

C26H27FN4O — CID 11532065

IUPAC5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole
SMILESFc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2
InChIKeyILIWVAFIMXCJTB-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.48
Rot. Bonds7

About 5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole

5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole (PubChem CID 11532065) has the molecular formula C26H27FN4O and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole
PubChem CID11532065
Molecular FormulaC26H27FN4O
Molecular Weight430.53 g/mol
Exact Mass430.22
IUPAC Name5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole
SMILESFc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2
InChIKeyILIWVAFIMXCJTB-UHFFFAOYSA-N
XLogP5.48
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole?
The IUPAC name of 5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole (CID 11532065) is 5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole?
The canonical SMILES for 5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole is Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole?
The InChIKey is ILIWVAFIMXCJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2.
What are the key properties of 5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole?
5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole has a molecular weight of 430.53 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 11532065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).